CID 171748222

Tert-butyl 1-oxa-8-azadispiro[2.1.5^{5}.1^{3}]undecane-8-carboxylate

Structural Information

Molecular Formula
C14H23NO3
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC3(C2)CO3
InChI
InChI=1S/C14H23NO3/c1-12(2,3)18-11(16)15-6-4-13(5-7-15)8-14(9-13)10-17-14/h4-10H2,1-3H3
InChIKey
FDIYHGMLQAENML-UHFFFAOYSA-N
Compound name
tert-butyl 2-oxa-8-azadispiro[2.1.55.13]undecane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

253.1678 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.175076 161.7
[M+Na]+ 276.157018 167.6
[M-H]- 252.160524 168.7
[M+NH4]+ 271.201623 169.9
[M+K]+ 292.130958 171.3
[M+H-H2O]+ 236.165060 152.3
[M+HCOO]- 298.166001 174.3
[M+CH3COO]- 312.181651 197.0
[M+Na-2H]- 274.142466 167.8
[M]+ 253.16725142 171.4
[M]- 253.16834858 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe